2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8013-9132 |
| Compound Name: | 2-{[4-(2,4-dimethylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 536.65 |
| Molecular Formula: | C31 H28 N4 O3 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(COc2ccccc2)nnc1SCC(Nc1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9416 |
| logD: | 6.9416 |
| logSw: | -5.6093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.784 |
| InChI Key: | KHPFZUFKUAYRMC-UHFFFAOYSA-N |